3-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)ethylsulfonyl]propionamide Formula: C19H30N3O5S2+ MolecularWeight: 444.5886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C19H29N3O5S2/c20-19(23)7-13-28(24,25)14-12-21-8-10-22(11-9-21)29(26,27)18-6-5-16-3-1-2-4-17(16)15-18/h5-6,15H,1-4,7-14H2,(H2,20,23)/p+1